CID 10512837

3,9-dimethyldodecan-6-ol

Structural Information

Molecular Formula
C14H30O
SMILES
CCCC(C)CCC(CCC(C)CC)O
InChI
InChI=1S/C14H30O/c1-5-7-13(4)9-11-14(15)10-8-12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKey
YUCABFMYNWXOSM-UHFFFAOYSA-N
Compound name
3,9-dimethyldodecan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

214.22966 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.236936 160.7
[M+Na]+ 237.218878 163.6
[M-H]- 213.222384 158.4
[M+NH4]+ 232.263483 178.9
[M+K]+ 253.192818 162.2
[M+H-H2O]+ 197.226920 155.4
[M+HCOO]- 259.227861 177.6
[M+CH3COO]- 273.243511 193.2
[M+Na-2H]- 235.204326 159.1
[M]+ 214.22911142 162.6
[M]- 214.23020858 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe